Jay W. Ponder
Affiliations: | Washington University, Saint Louis, St. Louis, MO |
Area:
General Biophysics, Condensed Matter Physics, Biomedical EngineeringGoogle:
"Jay Ponder"Mean distance: (not calculated yet)
Children
Sign in to add trainee| Brooke Husic | research assistant | (Chemistry Tree) | |
| Sukrit Singh | research assistant | 2013-2014 | Washington University (Chemistry Tree) |
| Michael J. Schnieders | grad student | 2007 | Washington University |
| Pengyu Ren | post-doc | Washington University Medical School (Chemistry Tree) | |
| Rohit V. Pappu | post-doc | 1996-1998 | Washington University (BME Tree) |
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Publications
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| Thiel AC, Speranza MJ, Jadhav S, et al. (2024) Constant-pH Simulations with the Polarizable Atomic Multipole AMOEBA Force Field. Journal of Chemical Theory and Computation |
| Corrigan RA, Thiel AC, Lynn JR, et al. (2023) A generalized Kirkwood implicit solvent for the polarizable AMOEBA protein model. The Journal of Chemical Physics. 159 |
| Chung MKJ, Miller RJ, Novak B, et al. (2023) Accurate Host-Guest Binding Free Energies Using the AMOEBA Polarizable Force Field. Journal of Chemical Information and Modeling |
| Chung MKJ, Wang Z, Rackers JA, et al. (2022) Classical Exchange Polarization: An Anisotropic Variable Polarizability Model. The Journal of Physical Chemistry. B |
| El Khoury L, Jing Z, Cuzzolin A, et al. (2022) Computationally driven discovery of SARS-CoV-2 M inhibitors: from design to experimental validation. Chemical Science. 13: 3674-3687 |
| Rackers JA, Silva RR, Wang Z, et al. (2021) Polarizable Water Potential Derived from a Model Electron Density. Journal of Chemical Theory and Computation. 17: 7056-7084 |
| Corrigan RA, Qi G, Thiel AC, et al. (2021) Implicit Solvents for the Polarizable Atomic Multipole AMOEBA Force Field. Journal of Chemical Theory and Computation |
| Adjoua O, Lagardère L, Jolly LH, et al. (2021) Tinker-HP: Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields Using GPUs and Multi-GPU Systems. Journal of Chemical Theory and Computation |
| Adjoua O, Lagardère L, Jolly LH, et al. (2020) Tinker-HP : Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields using GPUs and Multi-GPUs systems. Arxiv |
| Shi Y, Laury ML, Wang Z, et al. (2020) AMOEBA binding free energies for the SAMPL7 TrimerTrip host-guest challenge. Journal of Computer-Aided Molecular Design |